N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-pyridin-4-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-pyridin-4-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(4-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-pyridin-4-ylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CC=NC=C4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CC=NC=C4)N

InChI

InChI=1S/C17H16N6O2/c18-15-16(22-11-3-5-19-6-4-11)20-10-21-17(15)23-12-1-2-13-14(9-12)25-8-7-24-13/h1-6,9-10H,7-8,18H2,(H2,19,20,21,22,23)